{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.5501732 -10.4865239 -27.2827242 ] [ -12.3501065 23.6223739 -7.1931933 ] [ -5.3794162 0.1688396 16.7896169 ] [ 9.0040492 -18.7087656 15.508453 ] [ 11.6244216 -2.2572238 -11.2203928 ] [ 5.6512251 7.6612998 13.3982403 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.369888760483072e-08 -1.680126342604044e-08 -4.371174286497439e-08 ] [ -1.978705189869012e-08 3.784721519037611e-08 -1.15247661341552e-08 ] [ -8.618774869192777e-09 2.705108597852237e-10 2.689993166936857e-08 ] [ 1.442607712077295e-08 -2.997474684834728e-08 2.484728082137562e-08 ] [ 1.862437651784253e-08 -3.616471200273335e-09 -1.797705102035265e-08 ] [ 9.05426073409814e-09 1.227475542449972e-08 2.146634736852038e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.4136224 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.264872759919186e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8133874 1.1931447 -0.274587 ] [ 0.0236373 3.0754952 1.0564321 ] [ 0.6573934 1.8377061 3.1829565 ] [ 1.44715 -0.0446403 1.8519353 ] [ 3.138288 1.4708658 0.7121178 ] [ 2.3485328 3.3532106 2.0431473 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.133874e-11 1.1931447e-10 -2.74587e-11 ] [ 2.36373e-12 3.0754952e-10 1.0564321e-10 ] [ 6.573934e-11 1.8377061e-10 3.1829565e-10 ] [ 1.44715e-10 -4.46403e-12 1.8519353e-10 ] [ 3.138288e-10 1.4708658e-10 7.121178e-11 ] [ 2.3485328e-10 3.3532106e-10 2.0431473e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.1e-06 1.17e-05 -2.03e-05 ] [ -1.57e-05 -3e-07 -1.03e-05 ] [ -2.5e-06 -1.12e-05 1.52e-05 ] [ 5.8e-06 -4.2e-06 1.17e-05 ] [ -5.9e-06 9e-06 1.84e-05 ] [ 2.43e-05 -4.9e-06 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.77327738688e-15 1.874546646336e-14 -3.252418540224e-14 ] [ -2.515417294656e-14 -4.8065298624e-16 -1.650241919424e-14 ] [ -4.005441552e-15 -1.794437815296e-14 2.435308463616e-14 ] [ 9.292624400640001e-15 -6.72914180736e-15 1.874546646336e-14 ] [ -9.45284206272e-15 1.44195895872e-14 2.948004982272e-14 ] [ 3.893289188544e-14 -7.850665441919999e-15 -2.339177866368e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.325443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295188985720302e-18 } }